Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.124 CA :: 58.653 CB :: 63.732 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.495 HB2 :: 3.912 HB3 :: 3.912 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 173.861 CA :: 45.402 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.461 HA2 :: 3.978 HA3 :: 3.978 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.128 Ave N Shift Values>> N :: 109.91(4.29) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 C Shift Assignments>> C :: 177.662 CA :: 52.483 CB :: 19.391 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.119 HA :: 4.322 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.575 Ave N Shift Values>> N :: 123.23(3.7) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 M 0.09 K 0.08 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.144 CA :: 56.685 CB :: 30.112 CG :: 36.287 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.422 HA :: 4.217 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 2.216 HG3 :: 2.154 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.253 Ave N Shift Values>> N :: 120.68(3.68) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.31 C Shift Assignments>> C :: 175.841 CA :: 60.897 CB :: 38.834 CG1 :: 27.061 CG2 :: 17.448 CD1 :: 12.848 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.014 HA :: 4.115 HB :: 1.764 HG12 :: 1.349 HG13 :: 1.093 HG21 :: 0.792 HG22 :: 0.792 HG23 :: 0.792 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.447 Ave N Shift Values>> N :: 121.6(4.72) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.36 C 0.26 C Shift Assignments>> C :: 175.695 CA :: 57.483 CB :: 39.742 CD1 :: 131.769 CD2 :: 131.769 CE1 :: 129.838 CE2 :: 129.838 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.308 HA :: 4.737 HB2 :: 3.173 HB3 :: 3.000 HD1 :: 7.247 HD2 :: 7.247 HE1 :: 7.279 HE2 :: 7.279 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.426 Ave N Shift Values>> N :: 120.69(4.18) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.104 CA :: 61.639 CB :: 70.027 CG2 :: 21.459 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.121 HA :: 4.384 HB :: 4.160 HG21 :: 1.166 HG22 :: 1.166 HG23 :: 1.166 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.519 Ave N Shift Values>> N :: 115.7(5.05) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.L80 1.L80 C Shift Assignments>> C :: 174.104 CA :: 61.667 CB :: 69.885 CG2 :: 21.592 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.128 HA :: 4.320 HB :: 4.168 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.865 Ave N Shift Values>> N :: 115.7(5.05) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.27 R 0.08 G 0.03 A 0.01 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 176.873 CA :: 55.115 CB :: 42.683 CG :: 27.046 CD1 :: 24.904 CD2 :: 23.541 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.234 HA :: 4.332 HB2 :: 1.566 HB3 :: 1.566 HG :: 1.544 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.203 Ave N Shift Values>> N :: 121.98(4.07) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.866 CA :: 57.580 CB :: 63.492 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.086 HA :: 4.383 HB2 :: 3.470 HB3 :: 3.470 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.920 Ave N Shift Values>> N :: 116.3(3.95) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 Q 0.17 W 0.14 E 0.14 C 0.13 R 0.11 I 0.04 M 0.03 L 0.03 C Shift Assignments>> C :: 172.210 CA :: 57.128 CB :: 28.910 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.860 HA :: 4.218 HB2 :: 2.755 HB3 :: 2.665 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.072 Ave N Shift Values>> N :: 119.95(4.79) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.25 Q 0.11 E 0.06 I 0.03 R 0.03 M 0.02 C Shift Assignments>> C :: 172.283 CA :: 55.801 CB :: 25.979 CG :: 35.222 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.382 HA :: 4.647 HB2 :: 1.699 HB3 :: 1.642 HG2 :: 2.302 HG3 :: 2.141 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.762 Ave N Shift Values>> N :: 120.68(3.68) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 174.663 CA :: 62.393 CB :: 32.018 CG :: 28.806 CD :: 50.605 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.312 HB2 :: 2.247 HB3 :: 1.791 HG2 :: 1.641 HG3 :: 1.546 HD2 :: 3.825 HD3 :: 3.158 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.13 C 0.1 N 0.08 F 0.06 R 0.05 Y 0.05 C Shift Assignments>> C :: 173.995 CA :: 53.771 CB :: 41.614 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.628 HA :: 4.481 HB2 :: 2.750 HB3 :: 2.536 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.640 Ave N Shift Values>> N :: 120.73(4.2) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 176.120 CA :: 60.562 CB :: 39.057 CG1 :: 28.807 CG2 :: 16.151 CD1 :: 13.321 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.919 HA :: 3.929 HB :: 1.596 HG12 :: 1.865 HG13 :: 0.764 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.646 Ave N Shift Values>> N :: 121.6(4.72) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.411 CA :: 62.387 CB :: 32.786 CG :: 27.940 CD :: 51.123 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.602 HB2 :: 2.200 HB3 :: 2.091 HG2 :: 1.792 HG3 :: 1.650 HD2 :: 4.397 HD3 :: 3.784 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.24 Y 0.05 D 0.05 E 0.04 M 0.03 F 0.03 C Shift Assignments>> C :: 173.084 CA :: 52.345 CB :: 37.204 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.477 HA :: 4.911 HB2 :: 2.961 HB3 :: 2.726 HD21 :: 7.731 HD22 :: 7.176 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.698 ND2 :: 112.773 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> CA :: 61.698 CB :: 30.555 CG :: 27.968 CD :: 49.949 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.622 HB2 :: 2.536 HB3 :: 1.866 HG2 :: 2.176 HG3 :: 2.142 HD2 :: 4.116 HD3 :: 3.712 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.39 C Shift Assignments>> C :: 175.173 CA :: 62.161 CB :: 33.445 CG :: 27.416 CD :: 49.105 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.836 HB2 :: 2.285 HB3 :: 2.040 HG2 :: 1.928 HG3 :: 1.677 HD2 :: 3.649 HD3 :: 3.602 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.31 K 0.19 G 0.09 C Shift Assignments>> C :: 175.173 CA :: 54.210 CB :: 33.165 CG :: 27.288 CD :: 43.261 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.331 HA :: 4.748 HB2 :: 1.899 HB3 :: 1.736 HG2 :: 1.736 HG3 :: 1.683 HD2 :: 3.233 HD3 :: 3.233 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.262 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 175.306 CA :: 59.062 CB :: 37.955 CG1 :: 27.265 CG2 :: 17.443 CD1 :: 13.760 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.078 HA :: 4.113 HB :: 0.855 HG12 :: 0.837 HG13 :: 0.379 HG21 :: 0.671 HG22 :: 0.671 HG23 :: 0.671 HD11 :: 0.551 HD12 :: 0.551 HD13 :: 0.551 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.227 Ave N Shift Values>> N :: 121.6(4.72) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.17 C 0.03 L 0.02 C Shift Assignments>> C :: 177.067 CA :: 52.205 CB :: 20.195 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.061 HA :: 4.384 HB1 :: 1.032 HB2 :: 1.032 HB3 :: 1.032 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.802 Ave N Shift Values>> N :: 123.23(3.7) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 K 0.11 C 0.1 R 0.09 N 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 171.724 CA :: 53.218 CB :: 42.133 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.658 HA :: 4.701 HB2 :: 2.740 HB3 :: 2.402 HD21 :: 7.694 HD22 :: 6.819 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.981 ND2 :: 113.347 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.38 R 0.04 K 0.02 C Shift Assignments>> C :: 174.092 CA :: 55.473 CB :: 34.754 CG :: 25.520 CD :: 44.570 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.342 HA :: 5.111 HB2 :: 1.989 HB3 :: 1.989 HG2 :: 1.631 HG3 :: 1.566 HD2 :: 3.354 HD3 :: 3.178 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.486 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 C Shift Assignments>> C :: 175.537 CA :: 60.351 CB :: 71.850 CG2 :: 21.166 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.565 HA :: 4.803 HB :: 4.689 HG21 :: 1.139 HG22 :: 1.139 HG23 :: 1.139 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.016 Ave N Shift Values>> N :: 115.7(5.05) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.17 M 0.03 HN Overlap>> 1.C112 1.C112 C Shift Assignments>> C :: 174.760 CA :: 58.628 CB :: 33.145 CG :: 24.874 CD :: 29.940 CE :: 41.973 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.459 HA :: 4.532 HB2 :: 1.758 HB3 :: 1.678 HG2 :: 1.417 HG3 :: 1.350 HD2 :: 1.700 HD3 :: 1.651 HE2 :: 2.989 HE3 :: 2.989 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.380 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.14 C 0.12 K 0.07 R 0.04 F 0.03 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.238 CA :: 51.886 CB :: 41.768 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.753 HA :: 4.836 HB2 :: 2.937 HB3 :: 2.733 HD21 :: 7.673 HD22 :: 7.041 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 108.717 ND2 :: 111.358 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.61 T 0.38 C Shift Assignments>> C :: 171.299 CA :: 57.494 CB :: 67.001 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.492 HA :: 5.274 HB2 :: 3.789 HB3 :: 3.667 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.625 Ave N Shift Values>> N :: 116.3(3.95) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 G 0.18 L 0.15 A 0.02 C Shift Assignments>> C :: 175.185 CA :: 54.398 CB :: 47.601 CG :: 26.574 CD1 :: 26.693 CD2 :: 24.223 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.222 HA :: 4.792 HB2 :: 1.587 HB3 :: 1.180 HG :: 1.626 HD11 :: 1.098 HD12 :: 1.098 HD13 :: 1.098 HD21 :: 1.032 HD22 :: 1.032 HD23 :: 1.032 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.105 Ave N Shift Values>> N :: 121.98(4.07) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.914 CA :: 61.937 CB :: 68.696 CG2 :: 20.965 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.754 HA :: 4.880 HB :: 3.806 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.727 Ave N Shift Values>> N :: 115.7(5.05) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.25 C 0.19 R 0.03 C Shift Assignments>> C :: 174.954 CA :: 53.061 CB :: 45.023 CG :: 28.367 CD1 :: 24.889 CD2 :: 24.428 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.867 HA :: 5.186 HB2 :: 1.739 HB3 :: 1.543 HG :: 1.222 HD11 :: 0.111 HD12 :: 0.111 HD13 :: 0.111 HD21 :: 0.253 HD22 :: 0.253 HD23 :: 0.253 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.640 Ave N Shift Values>> N :: 121.98(4.07) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.4 Q 0.08 E 0.02 C Shift Assignments>> C :: 174.140 CA :: 53.991 CB :: 33.132 CG :: 33.363 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.975 HA :: 4.840 HB2 :: 1.806 HB3 :: 1.716 HG2 :: 2.095 HG3 :: 2.095 HE21 :: 7.080 HE22 :: 6.740 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.511 NE2 :: 110.737 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W38 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 172.902 CA :: 56.129 CB :: 30.602 CD1 :: 125.023 CE3 :: 118.221 CZ2 :: 115.299 CZ3 :: 121.428 CH2 :: 123.316 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.975 HA :: 5.141 HB2 :: 3.241 HB3 :: 3.001 HD1 :: 5.770(A) HE1 :: 6.874(S) HE3 :: 6.774 HZ2 :: 7.296 HZ3 :: 6.534 HH2 :: 6.439 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.728 NE1 :: 126.965 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.36 R 0.17 M 0.01 G 0.01 C Shift Assignments>> C :: 176.302 CA :: 54.229 CB :: 35.786 CG :: 24.656 CD :: 29.239 CE :: 42.138 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.935 HA :: 4.639 HB2 :: 1.846 HB3 :: 1.718 HG2 :: 1.418 HG3 :: 1.418 HD2 :: 1.694 HD3 :: 1.694 HE2 :: 3.011 HE3 :: 3.011 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.019 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 HN Overlap>> 1.C86 1.C86 C Shift Assignments>> C :: 175.683 CA :: 50.511 CB :: 18.775 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.975 HA :: 4.840 HB1 :: 1.675 HB2 :: 1.675 HB3 :: 1.675 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.578 Ave N Shift Values>> N :: 123.23(3.7) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 175.197 CA :: 61.762 CB :: 33.649 CG :: 27.049 CD :: 49.737 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.792 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.039 HG3 :: 1.850 HD2 :: 3.858 HD3 :: 3.776 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.808 CA :: 59.547 CB :: 63.439 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.635 HA :: 4.279 HB2 :: 3.862 HB3 :: 3.862 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.632 Ave N Shift Values>> N :: 116.3(3.95) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 C 0.11 K 0.11 N 0.1 F 0.09 Y 0.07 R 0.02 C Shift Assignments>> C :: 175.428 CA :: 54.401 CB :: 40.961 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.243 HA :: 4.225 HB2 :: 3.643 HB3 :: 2.564 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.793 Ave N Shift Values>> N :: 120.73(4.2) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.2 Y 0.14 D 0.13 F 0.1 E 0.04 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 175.015 CA :: 54.552 CB :: 38.388 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.009 HA :: 4.336 HB2 :: 2.864 HB3 :: 2.697 HD21 :: 7.995 HD22 :: 7.086 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.416 ND2 :: 117.606 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.748 CA :: 45.562 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.301 HA2 :: 4.342 HA3 :: 3.671 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.796 Ave N Shift Values>> N :: 109.91(4.29) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.181 CA :: 57.371 CB :: 63.943 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.423 HA :: 4.641 HB2 :: 3.813 HB3 :: 3.787 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.003 Ave N Shift Values>> N :: 116.3(3.95) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.17 M 0.04 G 0.01 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> C :: 177.152 CA :: 56.961 CB :: 33.011 CG :: 24.481 CD :: 29.281 CE :: 42.303 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.278 HA :: 4.178 HB2 :: 1.796 HB3 :: 1.737 HG2 :: 1.450 HG3 :: 1.450 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 3.003 HE3 :: 3.003 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.272 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.21 C Shift Assignments>> C :: 176.520 CA :: 62.581 CB :: 37.950 CG1 :: 29.377 CG2 :: 17.166 CD1 :: 13.648 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.726 HA :: 3.710 HB :: 1.722 HG12 :: 1.755 HG13 :: 1.005 HG21 :: 0.321 HG22 :: 0.321 HG23 :: 0.321 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.799 Ave N Shift Values>> N :: 121.6(4.72) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.21 M 0.21 K 0.19 E 0.05 R 0.04 C Shift Assignments>> C :: 175.610 CA :: 56.095 CB :: 30.444 CG :: 32.797 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.947 HA :: 4.348 HB2 :: 2.044 HB3 :: 1.632 HG2 :: 2.333 HG3 :: 2.333 HE21 :: 7.512 HE22 :: 6.722 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.341 NE2 :: 111.629 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.2 R 0.15 C 0.11 K 0.07 G 0.05 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 171.834 CA :: 52.997 CB :: 42.860 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.318 HA :: 4.522 HB2 :: 2.585 HB3 :: 2.216 HD21 :: 7.060 HD22 :: 6.754 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 111.688 ND2 :: 112.984 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 F 0.47 G 0.02 C Shift Assignments>> C :: 174.954 CA :: 57.186 CB :: 42.152 CD1 :: 133.295 CD2 :: 133.295 CE1 :: 131.426 CE2 :: 131.426 CZ :: 128.917 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.205 HA :: 5.172 HB2 :: 3.227 HB3 :: 3.125 HD1 :: 7.613 HD2 :: 7.613 HE1 :: 7.412 HE2 :: 7.412 HZ :: 7.366 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.000 Ave N Shift Values>> N :: 120.69(4.18) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 174.190 CA :: 62.325 CB :: 33.209 CG1 :: 21.574 CG2 :: 20.920 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.368 HA :: 4.513 HB :: 2.234 HG11 :: 0.980 HG12 :: 0.980 HG13 :: 0.980 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.321 Ave N Shift Values>> N :: 121.02(4.96) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.2 L 0.19 R 0.08 A 0.03 C Shift Assignments>> C :: 175.525 CA :: 53.088 CB :: 44.705 CG :: 27.773 CD1 :: 23.512 CD2 :: 26.829 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.381 HA :: 5.088 HB2 :: 2.100 HB3 :: 0.772 HG :: 1.567 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.912 HD22 :: 0.912 HD23 :: 0.912 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.281 Ave N Shift Values>> N :: 121.98(4.07) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 M 0.04 E 0.02 C Shift Assignments>> C :: 175.391 CA :: 54.538 CB :: 35.050 CG :: 37.358 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.414 HA :: 5.476 HB2 :: 2.025 HB3 :: 1.611 HG2 :: 2.228 HG3 :: 1.847 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.953 Ave N Shift Values>> N :: 120.68(3.68) 1.W55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 W 0.19 C Shift Assignments>> C :: 174.578 CA :: 54.432 CB :: 33.933 CD1 :: 126.662 CE3 :: 119.093 CZ2 :: 115.603 CZ3 :: 123.586 CH2 :: 125.418 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.961 HA :: 6.413 HB2 :: 3.305 HB3 :: 3.146 HD1 :: 7.625 HE1 :: 10.903 HE3 :: 7.188 HZ2 :: 7.703 HZ3 :: 7.348 HH2 :: 7.244 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.333 NE1 :: 133.630 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.34 N 0.18 L 0.16 C 0.13 K 0.06 F 0.03 Y 0.02 R 0.02 C Shift Assignments>> C :: 177.941 CA :: 51.483 CB :: 41.474 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.030 HA :: 4.638 HB2 :: 2.614 HB3 :: 1.187(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.556 Ave N Shift Values>> N :: 120.73(4.2) 1.E57 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.44 E 0.34 I 0.09 K 0.07 M 0.01 Q 0.01 C Shift Assignments>> C :: 175.051 CA :: 55.763 CB :: 28.593 CG :: 37.121 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 5.614(S) HA :: 0.433(A) HB2 :: 1.734 HB3 :: 1.601 HG2 :: 1.380(S) HG3 :: 1.157(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 110.175 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (HA > HB2 : 0.9998) (HA > HB3 : 1.0000) (HA > HG2 : 1.0000) (HA > HG3 : 1.0000) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 176.035 CA :: 46.112 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.984 HA2 :: 4.176 HA3 :: 3.828 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.166 Ave N Shift Values>> N :: 109.91(4.29) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.35 R 0.25 C Shift Assignments>> C :: 179.046 CA :: 58.231 CB :: 33.338 CG :: 26.217 CD :: 29.012 CE :: 42.056 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.627 HA :: 3.885 HB2 :: 1.677 HB3 :: 1.619 HG2 :: 1.213 HG3 :: 1.213 HD2 :: 1.532 HD3 :: 1.482 HE2 :: 2.839 HE3 :: 2.727 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.002 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 174.128 CA :: 46.835 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.563 HA2 :: 3.812 HA3 :: 3.608 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.463 Ave N Shift Values>> N :: 109.91(4.29) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.18 C 0.15 Y 0.04 F 0.04 L 0.02 C Shift Assignments>> C :: 176.581 CA :: 51.819 CB :: 38.885 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.319 HA :: 4.704 HB2 :: 3.060 HB3 :: 2.531 HD21 :: 7.380 HD22 :: 6.688 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.175 ND2 :: 109.764 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.485 CA :: 45.619 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.161 HA2 :: 3.965 HA3 :: 3.544 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.814 Ave N Shift Values>> N :: 109.91(4.29) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 K 0.13 Q 0.1 M 0.08 I 0.01 C Shift Assignments>> C :: 174.772 CA :: 54.959 CB :: 29.676 CG :: 35.792 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.182 HA :: 4.363 HB2 :: 1.773 HB3 :: 1.738 HG2 :: 2.002 HG3 :: 1.976 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.743 Ave N Shift Values>> N :: 120.68(3.68) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.31 G 0.05 C Shift Assignments>> C :: 176.120 CA :: 57.586 CB :: 42.772 CD1 :: 130.867 CD2 :: 130.867 CE1 :: 130.730 CE2 :: 130.730 CZ :: 128.471 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.287 HA :: 4.642 HB2 :: 2.716 HB3 :: 2.572 HD1 :: 6.735 HD2 :: 6.735 HE1 :: 6.856 HE2 :: 6.856 HZ :: 6.826 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.978 Ave N Shift Values>> N :: 120.69(4.18) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.17 R 0.15 K 0.14 W 0.12 E 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 174.140 CA :: 55.442 CB :: 31.563 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.579 HA :: 5.080 HB2 :: 3.057 HB3 :: 3.057 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.124 Ave N Shift Values>> N :: 119.95(4.79) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.28 Q 0.14 K 0.11 M 0.08 I 0.05 C Shift Assignments>> C :: 175.428 CA :: 58.904 CB :: 30.178 CG :: 35.050 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.135 HA :: 4.307 HB2 :: 2.279 HB3 :: 2.036 HG2 :: 2.269 HG3 :: 2.100 HE21 :: 7.677 HE22 :: 6.707 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.759 NE2 :: 111.841 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.16 Q 0.14 C 0.13 K 0.13 R 0.12 I 0.05 M 0.03 V 0.01 C Shift Assignments>> C :: 173.145 CA :: 58.012 CB :: 29.473 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.491 HA :: 4.814 HB2 :: 2.444 HB3 :: 2.843 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.698 Ave N Shift Values>> N :: 119.95(4.79) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 171.967 CA :: 58.690 CB :: 41.401 CD1 :: 132.648 CD2 :: 132.648 CE1 :: 118.002 CE2 :: 118.002 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.874 HA :: 4.295 HB2 :: 1.955 HB3 :: 1.770 HD1 :: 6.704 HD2 :: 6.704 HE1 :: 7.011 HE2 :: 7.011 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.139 Ave N Shift Values>> N :: 120.79(4.69) 1.M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.32 A 0.26 C Shift Assignments>> C :: 173.788 CA :: 54.387 CB :: 35.002 CG :: 31.839 CE :: 17.214 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.338 HA :: 5.048 HB2 :: 1.787 HB3 :: 1.730 HG2 :: 2.384 HG3 :: 2.193 HE1 :: 1.935 HE2 :: 1.935 HE3 :: 1.935 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.931 Ave N Shift Values>> N :: 120.1(3.88) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.801 CA :: 45.898 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.125 HA2 :: 4.512 HA3 :: 4.195 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.166 Ave N Shift Values>> N :: 109.91(4.29) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.573 CA :: 59.369 CB :: 64.451 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.106 HA :: 4.836 HB2 :: 4.232 HB3 :: 4.092 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.242 Ave N Shift Values>> N :: 116.3(3.95) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.23 Q 0.2 K 0.18 M 0.07 I 0.01 R 0.01 C Shift Assignments>> C :: 173.594 CA :: 56.374 CB :: 29.458 CG :: 34.944 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.430 HA :: 4.385 HB2 :: 2.332 HB3 :: 2.246 HG2 :: 2.640 HG3 :: 2.580 HE21 :: 7.665 HE22 :: 7.064 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.498 NE2 :: 113.576 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K73 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 R 0.3 C 0.3 M 0.01 G 0.01 C Shift Assignments>> C :: 173.654 CA :: 54.269 CB :: 30.759 CG :: 25.826 CD :: 29.281 CE :: 42.092 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.697 HA :: 3.035 HB2 :: 1.780 HB3 :: 0.977 HG2 :: 0.913 HG3 :: 1.225 HD2 :: 1.807 HD3 :: 1.629 HE2 :: 3.144 HE3 :: 3.094 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.33 Q 0.12 K 0.03 E 0.02 C Shift Assignments>> C :: 173.704 CA :: 53.662 CB :: 32.080 CG :: 32.990 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.337 HA :: 4.286 HB2 :: 1.645 HB3 :: 1.645 HG2 :: 1.865 HG3 :: 1.865 HE21 :: 7.208 HE22 :: 6.598 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.355 NE2 :: 111.310 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.32 G 0.07 C Shift Assignments>> C :: 171.493 CA :: 58.812 CB :: 42.964 CD1 :: 131.303 CD2 :: 131.303 CE1 :: 131.596 CE2 :: 131.596 CZ :: 130.404 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.266 HA :: 4.290 HB2 :: 2.800 HB3 :: 2.224 HD1 :: 6.769 HD2 :: 6.769 HE1 :: 7.301 HE2 :: 7.301 HZ :: 7.413 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.201 Ave N Shift Values>> N :: 120.69(4.18) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.37 R 0.1 M 0.04 C Shift Assignments>> C :: 173.254 CA :: 54.409 CB :: 34.308 CG :: 24.444 CD :: 29.535 CE :: 41.726 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.221 HA :: 4.858 HB2 :: 1.410 HB3 :: 1.301 HG2 :: 1.130 HG3 :: 0.639 HD2 :: 1.384 HD3 :: 1.384 HE2 :: 2.678 HE3 :: 2.640 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.240 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 C Shift Assignments>> C :: 175.161 CA :: 60.857 CB :: 39.731 CG1 :: 29.733 CG2 :: 19.831 CD1 :: 15.716 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.003 HA :: 3.983 HB :: 1.662 HG12 :: 1.421 HG13 :: 0.945 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.711 Ave N Shift Values>> N :: 121.6(4.72) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 172.902 CA :: 59.885 CB :: 71.430 CG2 :: 22.478 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.611 HA :: 4.741 HB :: 4.427 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.286 Ave N Shift Values>> N :: 115.7(5.05) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.33 K 0.23 L 0.02 G 0.01 C Shift Assignments>> C :: 176.642 CA :: 57.371 CB :: 28.972 CG :: 25.196 CD :: 29.264 CE :: 42.143 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.746 HA :: 3.963 HB2 :: 2.148 HB3 :: 2.074 HG2 :: 1.497 HG3 :: 1.426 HD2 :: 1.782 HD3 :: 1.725 HE2 :: 3.046 HE3 :: 3.046 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 111.471 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.2 A 0.16 R 0.12 G 0.04 HN Overlap>> 1.T13 1.T13 C Shift Assignments>> C :: 176.156 CA :: 53.012 CB :: 42.652 CG :: 27.254 CD1 :: 26.630 CD2 :: 22.193 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.028 HA :: 4.706 HB2 :: 1.863 HB3 :: 1.269 HG :: 1.417 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 HD21 :: 1.067 HD22 :: 1.067 HD23 :: 1.067 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.887 Ave N Shift Values>> N :: 121.98(4.07) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.777 CA :: 56.934 CB :: 63.542 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.277 HA :: 4.990 HB2 :: 3.958 HB3 :: 3.851 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.313 Ave N Shift Values>> N :: 116.3(3.95) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 176.484 CA :: 63.587 CB :: 32.495 CG :: 27.938 CD :: 51.049 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.987 HB2 :: 2.407 HB3 :: 1.946 HG2 :: 2.138 HG3 :: 1.924 HD2 :: 3.799 HD3 :: 3.678 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.32 C 0.01 C Shift Assignments>> C :: 175.148 CA :: 52.744 CB :: 17.302 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.691 HA :: 3.908 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.443 Ave N Shift Values>> N :: 123.23(3.7) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.37 A 0.2 I 0.01 C Shift Assignments>> C :: 175.185 CA :: 55.672 CB :: 35.627 CG :: 32.385 CE :: 18.117 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.325 HA :: 4.492 HB2 :: 2.110 HB3 :: 1.898 HG2 :: 2.573 HG3 :: 2.431 HE1 :: 2.125 HE2 :: 2.125 HE3 :: 2.125 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.582 Ave N Shift Values>> N :: 120.1(3.88) 1.G85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.485 CA :: 45.614 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.704 HA2 :: 3.638 HA3 :: 2.518(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.522 Ave N Shift Values>> N :: 109.91(4.29) 1.C86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.18 M 0.15 R 0.11 W 0.11 Q 0.08 E 0.08 V 0.05 HN Overlap>> 1.A40 1.A40 C Shift Assignments>> C :: 171.493 CA :: 57.603 CB :: 32.414 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.037 HA :: 4.443 HB2 :: 3.119 HB3 :: 2.473 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.553 Ave N Shift Values>> N :: 119.95(4.79) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.39 K 0.1 G 0.02 C Shift Assignments>> C :: 175.974 CA :: 54.224 CB :: 36.294 CG :: 26.921 CD :: 29.795 CE :: 42.339 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.433 HA :: 5.548 HB2 :: 1.420 HB3 :: 1.279 HG2 :: 1.431 HG3 :: 1.105 HD2 :: 1.605 HD3 :: 1.479 HE2 :: 2.873 HE3 :: 2.817 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.958 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 F 0.06 C Shift Assignments>> C :: 175.173 CA :: 57.033 CB :: 45.195 CD1 :: 133.134 CD2 :: 133.134 CE1 :: 131.957 CE2 :: 131.957 CZ :: 128.765 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.819 HA :: 6.027 HB2 :: 3.101 HB3 :: 2.679 HD1 :: 7.350 HD2 :: 7.350 HE1 :: 7.335 HE2 :: 7.335 HZ :: 7.227 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.009 Ave N Shift Values>> N :: 120.69(4.18) 1.R89 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.37 R 0.16 G 0.04 C Shift Assignments>> C :: 172.428 CA :: 55.969 CB :: 32.977 CG :: 24.691 CD :: 42.976 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.722 HA :: 4.457 HB2 :: 1.686 HB3 :: 1.323 HG2 :: 0.792 HG3 :: 0.686(S) HD2 :: 1.766(S) HD3 :: 1.233(S) HE :: 5.601(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.548 NE :: 83.901 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) 1.L90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 A 0.23 C Shift Assignments>> C :: 174.347 CA :: 54.064 CB :: 50.180(S) CG :: 27.065 CD1 :: 22.701 CD2 :: 27.211 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.587 HA :: 5.696 HB2 :: 1.661 HB3 :: 0.844 HG :: 1.257 HD11 :: -0.041 HD12 :: -0.041 HD13 :: -0.041 HD21 :: 0.365 HD22 :: 0.365 HD23 :: 0.365 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.928 Ave N Shift Values>> N :: 121.98(4.07) 1.S91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 172.198 CA :: 56.752 CB :: 66.278 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.281 HA :: 4.563 HB2 :: 3.318 HB3 :: 2.808(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.647 Ave N Shift Values>> N :: 116.3(3.95) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.21 A 0.14 M 0.07 K 0.07 P 0.02 R 0.01 C Shift Assignments>> C :: 174.675 CA :: 50.889 CB :: 23.368 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.683 HA :: 5.022 HB1 :: 1.209 HB2 :: 1.209 HB3 :: 1.209 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.503 Ave N Shift Values>> N :: 123.23(3.7) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.19 G 0.14 K 0.13 C Shift Assignments>> C :: 175.416 CA :: 54.753 CB :: 34.236 CG :: 27.096 CD :: 43.519 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.599 HA :: 5.231 HB2 :: 1.659 HB3 :: 1.622 HG2 :: 1.503 HG3 :: 1.413 HD2 :: 3.053 HD3 :: 2.999 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.013 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.17 N 0.16 C 0.13 K 0.06 R 0.03 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.472 CA :: 51.433 CB :: 41.685 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.745 HA :: 4.770 HB2 :: 3.414 HB3 :: 2.562 HD21 :: 8.121 HD22 :: 7.887 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.001 ND2 :: 114.273 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.18 C 0.15 L 0.12 K 0.11 D 0.1 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 176.654 CA :: 57.182 CB :: 40.615 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.293 HA :: 4.243 HB2 :: 2.304 HB3 :: 2.098 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.939 Ave N Shift Values>> N :: 120.73(4.2) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 175.707 CA :: 59.180 CB :: 38.506 CD1 :: 132.851 CD2 :: 132.851 CE1 :: 118.236 CE2 :: 118.236 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.921 HA :: 4.309 HB2 :: 3.074 HB3 :: 2.586 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 6.763 HE2 :: 6.763 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.350 Ave N Shift Values>> N :: 120.79(4.69) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 171.542 CA :: 45.040 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.712 HA2 :: 4.583 HA3 :: 3.883 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.238 Ave N Shift Values>> N :: 109.91(4.29) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.873 CA :: 60.366 CB :: 70.116 CG2 :: 20.599 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.359 HA :: 4.836 HB :: 3.791 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.273 Ave N Shift Values>> N :: 115.7(5.05) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 S 0.36 C Shift Assignments>> C :: 175.355 CA :: 58.886 CB :: 67.185 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.244 HA :: 4.386 HB2 :: 3.959 HB3 :: 3.660 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.590 Ave N Shift Values>> N :: 116.3(3.95) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.459 CA :: 44.798 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.270 HA2 :: 3.991 HA3 :: 3.756 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.400 Ave N Shift Values>> N :: 109.91(4.29) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 177.018 CA :: 59.114 CB :: 41.268 CD1 :: 131.272 CD2 :: 131.272 CE1 :: 131.421 CE2 :: 131.421 CZ :: 130.295 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.316 HA :: 4.551 HB2 :: 3.016 HB3 :: 2.715 HD1 :: 7.002 HD2 :: 7.002 HE1 :: 7.169 HE2 :: 7.169 HZ :: 7.164 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.934 Ave N Shift Values>> N :: 120.69(4.18) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.56 T 0.43 C Shift Assignments>> C :: 173.303 CA :: 58.090 CB :: 66.971 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.224 HA :: 4.286 HB2 :: 4.061 HB3 :: 3.946 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.668 Ave N Shift Values>> N :: 116.3(3.95) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.1 I 0.06 K 0.05 Q 0.03 C Shift Assignments>> C :: 176.581 CA :: 57.178 CB :: 30.536 CG :: 36.439 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.530 HA :: 4.168 HB2 :: 2.063 HB3 :: 1.936 HG2 :: 2.404 HG3 :: 2.404 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.041 Ave N Shift Values>> N :: 120.68(3.68) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 M 0.18 K 0.04 Q 0.04 I 0.01 C Shift Assignments>> C :: 177.200 CA :: 55.451 CB :: 30.988 CG :: 36.215 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.442 HA :: 4.836 HB2 :: 1.909 HB3 :: 1.819 HG2 :: 2.264 HG3 :: 1.952 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.629 Ave N Shift Values>> N :: 120.68(3.68) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.3 I 0.02 C Shift Assignments>> C :: 172.016 CA :: 59.338 CB :: 35.380 CG1 :: 22.258 CG2 :: 19.843 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.535 HA :: 4.621 HB :: 1.695 HG11 :: 0.996 HG12 :: 0.996 HG13 :: 0.996 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.015 Ave N Shift Values>> N :: 121.02(4.96) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.18 L 0.17 A 0.04 R 0.03 C Shift Assignments>> C :: 174.954 CA :: 53.347 CB :: 45.130 CG :: 27.445 CD1 :: 23.168 CD2 :: 26.480 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.833 HA :: 4.984 HB2 :: 1.734 HB3 :: 1.081 HG :: 1.113 HD11 :: 0.388 HD12 :: 0.388 HD13 :: 0.388 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.551 Ave N Shift Values>> N :: 121.98(4.07) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 Y 0.3 C 0.3 C Shift Assignments>> C :: 173.618 CA :: 55.445 CB :: 44.068 CD1 :: 133.079 CD2 :: 133.079 CE1 :: 117.414 CE2 :: 117.414 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.093 HA :: 5.416 HB2 :: 3.263 HB3 :: 2.708 HD1 :: 7.186 HD2 :: 7.186 HE1 :: 6.632 HE2 :: 6.632 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.487 Ave N Shift Values>> N :: 120.79(4.69) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.37 C Shift Assignments>> C :: 179.034 CA :: 56.319 CB :: 41.495 CD1 :: 133.120 CD2 :: 133.120 CE1 :: 118.303 CE2 :: 118.303 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.942 HA :: 5.939 HB2 :: 3.031 HB3 :: 2.715 HD1 :: 6.936 HD2 :: 6.936 HE1 :: 6.773 HE2 :: 6.773 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.228 Ave N Shift Values>> N :: 120.79(4.69) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 T 0.08 C Shift Assignments>> C :: 175.683 CA :: 61.464 CB :: 69.586 CG2 :: 25.777 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.297 HA :: 4.315 HB :: 4.949 HG21 :: 1.262 HG22 :: 1.262 HG23 :: 1.262 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.804 Ave N Shift Values>> N :: 115.7(5.05) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.485 CA :: 59.345 CB :: 63.530 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.447 HA :: 4.251 HB2 :: 3.890 HB3 :: 3.455 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.896 Ave N Shift Values>> N :: 116.3(3.95) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.910 CA :: 44.637 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.291 HA2 :: 4.153 HA3 :: 4.075 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.825 Ave N Shift Values>> N :: 109.91(4.29) 1.C112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 K 0.14 E 0.13 Q 0.12 I 0.11 R 0.1 M 0.02 L 0.02 V 0.01 HN Overlap>> 1.K31 1.K31 C Shift Assignments>> C :: 174.687 CA :: 58.869 CB :: 28.805 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.514 HA :: 4.500 HB2 :: 2.940 HB3 :: 2.892 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.338 Ave N Shift Values>> N :: 119.95(4.79) 1.S113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 110 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 107 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 115 #Suspicious: 3 C Shift Results: #Consistent: 471 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 715 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 2 N Shift Results: #Consistent: 115 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.W38 HD1 = 5.770(A), Expected = 7.16, Std = 0.3400, ChiSquare = 4.3467e-05 1.W38 HE1 = 6.874(S), Expected = 10.13, Std = 0.5300, ChiSquare = 8.0775e-10 1.D56 HB3 = 1.187(S), Expected = 2.70, Std = 0.2900, ChiSquare = 1.8161e-07 1.E57 H = 5.614(S), Expected = 8.34, Std = 0.6100, ChiSquare = 7.8640e-06 1.E57 HA = 0.433(A), Expected = 4.26, Std = 0.4300, ChiSquare = 5.5847e-19 1.E57 HG2 = 1.380(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.4859e-06 1.E57 HG3 = 1.157(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.0085e-08 1.E57 SRO Rule Break>> HA > HB2 : 0.999787550456766 1.E57 SRO Rule Break>> HA > HB3 : 1 1.E57 SRO Rule Break>> HA > HG2 : 1 1.E57 SRO Rule Break>> HA > HG3 : 1 1.K73 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K73 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.G85 HA3 = 2.518(S), Expected = 3.93, Std = 0.4000, ChiSquare = 4.1556e-04 1.R89 HG3 = 0.686(S), Expected = 1.58, Std = 0.2700, ChiSquare = 9.2926e-04 1.R89 HD2 = 1.766(S), Expected = 3.13, Std = 0.2300, ChiSquare = 3.0213e-09 1.R89 HD3 = 1.233(S), Expected = 3.13, Std = 0.2200, ChiSquare = 6.5378e-18 1.R89 HE = 5.601(S), Expected = 7.32, Std = 0.5200, ChiSquare = 9.4716e-04 1.R89 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R89 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.L90 CB = 50.180(S), Expected = 42.37, Std = 1.8600, ChiSquare = 2.6819e-05 1.S91 HB3 = 2.808(S), Expected = 3.87, Std = 0.3100, ChiSquare = 6.1298e-04